SCHEMBL3050967

SCHEMBL3050967

COc1cccc(Cc2nsc(N3CCN(C(=O)Nc4ccc(N(C)C)cc4)CC3)n2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.56
MAPT P10636 5/20 0.52
MAPK1 P28482 5/20 0.52
ALDH1A1 P00352 5/20 0.52
LMNA P02545 3/20 0.52
HTT P42858 3/20 0.52
TP53 P04637 2/20 0.52
GAA P10253 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CNR1 P21554 1/20 0.47
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
CDK1 P06493 1/20 0.45
IGF1R P08069 1/20 0.45
FGFR1 P11362 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3063843 0.88 FAAH (0.56) FAAHMAPTMAPK1ALDH1A1LMNA
SCHEMBL3065676 0.87 FAAH (0.56) FAAHMAPTMAPK1ALDH1A1LMNA
SCHEMBL3067175 0.86 FAAH (0.56) FAAHMAPTMAPK1ALDH1A1LMNA
SCHEMBL3058864 0.83 FAAH (0.59) FAAHMAPTMAPK1ALDH1A1LMNA
SCHEMBL3056905 0.81 FAAH (0.60) FAAHMAPTMAPK1ALDH1A1LMNA
SCHEMBL3055673 0.81 FAAH (0.51) FAAHMAPTMAPK1ALDH1A1LMNA
SCHEMBL3045290 0.80 MAPT (0.65) FAAHMAPTMAPK1ALDH1A1LMNA
SCHEMBL3058367 0.80 FAAH (0.61) FAAHMAPTMAPK1ALDH1A1LMNA
SCHEMBL2006710 0.78 ALDH1A1 (0.51) FAAHMAPTMAPK1ALDH1A1LMNA
SCHEMBL3064321 0.76 FAAH (0.54) FAAHTP53GAASMN1; SMN2MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541406-B2 Thiadiazole derivatives for the treatment of neurodegenerative diseases NV REMYND (BE) 2013-09-24 US disclosed
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2010-10-14 US disclosed
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-09-17 US disclosed
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 FAAH 2797/4885MAPT 9/4885MAPK1 1449/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 FAAH 2797/4885MAPT 9/4885MAPK1 1449/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 FAAH 2797/4885MAPT 9/4885MAPK1 1449/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.